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AI Laboratory for Molecular Engineering (AIME)

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  1. PROTACFold PROTACFold Public

    Forked from NilsDunlop/PROTACFold

    A toolkit developed to predict and analyze PROTAC-mediated protein degradation complexes using AlphaFold3.

    Python 6

  2. CELLULAR CELLULAR Public

    Forked from LeoAnd00/CELLULAR

    CELLULAR: CELLUlar contrastive Learning for Annotation and Representation

    Jupyter Notebook

  3. deCIFer deCIFer Public

    Forked from FrederikLizakJohansen/deCIFer

    deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from powder X-ray diffraction (PXRD) data.

    Jupyter Notebook 1

  4. retrosynformer retrosynformer Public

    Forked from emmaryd/retrosynformer

    Python

  5. LAGOM LAGOM Public

    Forked from tsofiac/LAGOM

    Language-model-Assisted Generation Of Metabolites

    Jupyter Notebook 1

  6. PROTAC-Splitter PROTAC-Splitter Public

    Forked from ribesstefano/PROTAC-Splitter

    PROTAC-Splitter is a machine learning framework designed for automated annotation of PROTAC substructures.

    Jupyter Notebook

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